Phase Behavior of Two-Dimensional Water Confined in Graphene Nanocapillaries

Zhu, YinBo

Phase Behavior of Two-Dimensional Water Confined in Graphene Nanocapillaries by YinBo Zhu - First edition 2020 - 1 recurso en línea (XVII, 118 páginas) 77 ilustraciones, 76 ilustraciones a color - Springer Theses Recognizing Outstanding Ph.D. Research 2190-5053 Engineering (SpringerNature-11647) Engineering (R0) (SpringerNature-43712) .

Introduction -- Monolayer square-like ice between two graphene sheets -- Superheating of monolayer ice in graphene nanocapillaries -- AB-stacking bilayer square-like ice in graphene nanocapillaries -- AA-stacking bilayer ice in graphene nanocapillaries -- Trilayer ice in graphene nanocapillaries -- Compression limit of 2D water confined in graphene nanocapillaries -- Summary and future work -- Appendix A: Mechanical design on graphene-based materials.

In this book, the authors use molecular dynamics simulations to conduct a comprehensive study of the compression/superheating limit and phase transition of 2D (monolayer, bilayer, and trilayer) water/ice constrained in graphene nanocapillaries. When subjected to nanoscale confinement and under ultrahigh pressure, water and ice behave quite differently than their bulk counterparts, partly because the van der Waals pressure can spark a water-to-ice transformation, known as the metastability limit of two-dimensional (2D) liquids. From a mechanical standpoint, this liquid-to-solid transformation characterizes the compression limit (or metastability limit) of 2D water. The findings presented here could help us to better understand the phase behavior of 2D confined water/ice.

9789811579578

10.1007/978-981-15-7957-8 doi


Mecánica aplicada
Química física
Nanotecnología

TA350 / 2020 EB